2-Cyano-2-phenylbutanoic acid methyl ester

CAS

24131-07-5

Catalog Number

ACM24131075

Category

Main Products

Molecular Weight

203.23

Molecular Formula

C12H13NO2

MSDS COA Spec Sheet

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Specification

Synonyms

ALPHA-CYANO-ALPHA-PHENYLBUTYRICACIDMETHYLESTER

Appearance

Light blue liquid

What is the molecular formula of 2-Cyano-2-phenylbutanoic acid methyl ester?

The molecular formula of 2-Cyano-2-phenylbutanoic acid methyl ester is C12H13NO2.

What are the synonyms for 2-Cyano-2-phenylbutanoic acid methyl ester?

The synonyms for 2-Cyano-2-phenylbutanoic acid methyl ester include methyl 2-cyano-2-phenylbutanoate and 2-phenyl-2-ethyl-2-cyanoacetic acid methyl ester.

What is the molecular weight of 2-Cyano-2-phenylbutanoic acid methyl ester?

The molecular weight of 2-Cyano-2-phenylbutanoic acid methyl ester is 203.24 g/mol.

What is the IUPAC name of 2-Cyano-2-phenylbutanoic acid methyl ester?

The IUPAC name of 2-Cyano-2-phenylbutanoic acid methyl ester is methyl 2-cyano-2-phenylbutanoate.

What is the InChI of 2-Cyano-2-phenylbutanoic acid methyl ester?

The InChI of 2-Cyano-2-phenylbutanoic acid methyl ester is InChI=1S/C12H13NO2/c1-3-12(9-13,11(14)15-2)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3.

What is the InChIKey of 2-Cyano-2-phenylbutanoic acid methyl ester?

The InChIKey of 2-Cyano-2-phenylbutanoic acid methyl ester is QCQKFMJKGAXAMV-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Cyano-2-phenylbutanoic acid methyl ester?

The canonical SMILES of 2-Cyano-2-phenylbutanoic acid methyl ester is CCC(C#N)(C1=CC=CC=C1)C(=O)OC.

What is the CAS number for 2-Cyano-2-phenylbutanoic acid methyl ester?

The CAS number for 2-Cyano-2-phenylbutanoic acid methyl ester is 24131-07-5.

How many hydrogen bond acceptor counts does 2-Cyano-2-phenylbutanoic acid methyl ester have?

2-Cyano-2-phenylbutanoic acid methyl ester has 3 hydrogen bond acceptor counts.

Is 2-Cyano-2-phenylbutanoic acid methyl ester a canonicalized compound?

Yes, 2-Cyano-2-phenylbutanoic acid methyl ester is a canonicalized compound.